3ABO
Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-Cbl and ethanolamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-11 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 63 |
Unit cell lengths | 242.760, 242.760, 76.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.510 - 2.100 |
R-factor | 0.24099 |
Rwork | 0.240 |
R-free | 0.26630 |
Structure solution method | SAD, MR |
Starting model (for MR) | 2qez |
RMSD bond length | 0.013 |
RMSD bond angle | 0.866 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.096 | |
Number of reflections | 145836 | |
<I/σ(I)> | 17.9 | 4.35 |
Completeness [%] | 97.2 | 93.1 |
Redundancy | 6.8 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 6.0-7.0 % (w/v) PEG 6000, 24-26 % (v/v) glycerol, 5.0 % (v/v) 2-propanol, 0.1 M HEPES-NaOH, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |